REMARK Name = BDB019142 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.326 -1.590 -0.127 0.00 0.00 +0.099 A ATOM 2 C LIG 1 0.733 -0.360 0.088 0.00 0.00 +0.086 A ATOM 3 N LIG 1 -0.600 -0.649 0.319 0.00 0.00 -0.270 N ATOM 4 C LIG 1 -1.564 0.337 0.590 0.00 0.00 +0.202 A ATOM 5 N LIG 1 -1.213 1.593 0.658 0.00 0.00 -0.223 NA ATOM 6 C LIG 1 0.108 1.899 0.403 0.00 0.00 +0.125 A ATOM 7 C LIG 1 -0.735 -2.011 0.256 0.00 0.00 +0.207 A ATOM 8 C LIG 1 1.095 1.018 0.124 0.00 0.00 +0.029 A ATOM 9 N LIG 1 0.398 -2.602 -0.055 0.00 0.00 -0.235 NA ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 2.430 1.563 -0.170 0.00 0.00 +0.025 A ATOM 11 C LIG 1 3.301 2.085 0.780 0.00 0.00 +0.050 A ATOM 12 C LIG 1 2.958 2.120 2.241 0.00 0.00 +0.066 C ATOM 13 N LIG 1 4.513 2.592 0.451 0.00 0.00 -0.237 NA ATOM 14 C LIG 1 4.876 2.548 -0.846 0.00 0.00 +0.126 A ATOM 15 C LIG 1 6.215 3.107 -1.210 0.00 0.00 +0.088 C ATOM 16 N LIG 1 4.102 2.080 -1.839 0.00 0.00 -0.240 NA ATOM 17 C LIG 1 2.900 1.591 -1.472 0.00 0.00 +0.123 A ENDBRANCH 8 10 BRANCH 1 22 ATOM 18 C LIG 1 6.845 -2.519 -1.178 0.00 0.00 +0.065 C ATOM 19 C LIG 1 5.384 -2.296 -0.923 0.00 0.00 +0.038 A ATOM 20 N LIG 1 5.035 -1.791 0.284 0.00 0.00 -0.260 NA ATOM 21 C LIG 1 3.715 -1.582 0.508 0.00 0.00 +0.121 A ATOM 22 C LIG 1 2.715 -1.843 -0.419 0.00 0.00 +0.021 A ATOM 23 C LIG 1 3.096 -2.388 -1.643 0.00 0.00 +0.013 A ATOM 24 C LIG 1 4.447 -2.611 -1.904 0.00 0.00 +0.024 A ENDBRANCH 1 22 BRANCH 4 25 ATOM 25 N LIG 1 -2.879 -0.007 0.809 0.00 0.00 -0.310 N ATOM 26 H LIG 1 -3.330 0.789 1.257 0.00 0.00 +0.149 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.698 -0.403 -0.333 0.00 0.00 +0.143 C BRANCH 27 28 ATOM 28 C LIG 1 -5.060 -0.807 0.144 0.00 0.00 +0.012 A ATOM 29 C LIG 1 -6.077 0.112 0.386 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -6.082 1.591 0.285 0.00 0.00 +0.080 C ATOM 31 C LIG 1 -7.584 1.846 0.407 0.00 0.00 +0.234 C ATOM 32 O LIG 1 -8.199 0.722 1.075 0.00 0.00 -0.491 OA ATOM 33 C LIG 1 -7.312 -0.303 0.871 0.00 0.00 +0.124 A ATOM 34 C LIG 1 -7.594 -1.627 1.139 0.00 0.00 +0.049 A ATOM 35 C LIG 1 -6.592 -2.566 0.898 0.00 0.00 +0.042 A ATOM 36 C LIG 1 -5.345 -2.153 0.409 0.00 0.00 +0.129 A ATOM 37 F LIG 1 -4.402 -3.083 0.198 0.00 0.00 -0.205 F ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 4 25 TORSDOF 5